3,5-difluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]benzamide

C16H13F2N3O2S — CID 110928302

IUPAC3,5-difluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
SMILESO=C(Nc1cc(-c2cccs2)nn1CCO)c1cc(F)cc(F)c1
InChIInChI=1S/C16H13F2N3O2S/c17-11-6-10(7-12(18)8-11)16(23)19-15-9-13(14-2-1-5-24-14)20-21(15)3-4-22/h1-2,5-9,22H,3-4H2,(H,19,23)
InChIKeyPTSQHAAJBDAPOR-UHFFFAOYSA-N
MW349.36 g/mol
LogP3.13
Rot. Bonds5

About 3,5-difluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]benzamide

3,5-difluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]benzamide (PubChem CID 110928302) has the molecular formula C16H13F2N3O2S and a molecular weight of 349.36 g/mol. Its IUPAC name is 3,5-difluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
PubChem CID110928302
Molecular FormulaC16H13F2N3O2S
Molecular Weight349.36 g/mol
Exact Mass349.07
IUPAC Name3,5-difluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
SMILESO=C(Nc1cc(-c2cccs2)nn1CCO)c1cc(F)cc(F)c1
InChIInChI=1S/C16H13F2N3O2S/c17-11-6-10(7-12(18)8-11)16(23)19-15-9-13(14-2-1-5-24-14)20-21(15)3-4-22/h1-2,5-9,22H,3-4H2,(H,19,23)
InChIKeyPTSQHAAJBDAPOR-UHFFFAOYSA-N
XLogP3.13
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-6-methylpyridine-3-carboxamide
CID 110928260
3-fluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]pyridine-4-carboxamide
CID 111456737
N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-1,3-thiazole-4-carboxamide
CID 110932034
N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]butanamide
CID 110928296
N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-2-(2-hydroxyphenyl)acetamide
CID 110929023
N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-2-(3-methylphenyl)acetamide
CID 110928235
N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 167942610
N-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3,5-difluorobenzamide
CID 42687226
3-fluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide
CID 16905666
N-[(4-fluorophenyl)methyl]-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040500
3-fluoro-N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
CID 135912522
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbenzamide
CID 110482972

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]benzamide?
The IUPAC name of 3,5-difluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]benzamide (CID 110928302) is 3,5-difluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]benzamide is O=C(Nc1cc(-c2cccs2)nn1CCO)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]benzamide?
The InChIKey is PTSQHAAJBDAPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2S/c17-11-6-10(7-12(18)8-11)16(23)19-15-9-13(14-2-1-5-24-14)20-21(15)3-4-22/h1-2,5-9,22H,3-4H2,(H,19,23).
What are the key properties of 3,5-difluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]benzamide?
3,5-difluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]benzamide has a molecular weight of 349.36 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]benzamide is sourced from PubChem (CID 110928302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).